3-methylbutan-1-ol
fo-a0b70cd55a7dfe3a
Identity
- Type
- Neutral molecule
- CAS
- 123-51-3
- EC
- 204-633-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
19- 1-Butanol, 3-methyl-
- 1-HYDROXY-3-METHYLBUTANE
- 2-methyl-4-butanol
- 3-methyl-1-butanol
- 3-Methylbutane-1-ol
- 3-Methylbutanol
- 3-Methylbutyl alcohol
- alcool isoamylique
- i-amyl alcohol
- Iso-amylalkohol
- iso-Pentanol
- isoamylol
- Isobutyl carbinol
- isobutylcarbinol
- isopentan-1-ol
- isopentanol
- Isopentyl alcohol
- Isopentylalkohol
- primary isoamyl alcohol
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 3-methylbutan-1-ol |
| Molecular formula chemrof:molecular_formula | C5H12O |
| Molecular mass chemrof:molecular_mass | 88.15 |
| Monoisotopic mass chemrof:monoisotopic_mass | 88.088815, 88.08882 |
| SMILES string chemrof:smiles_string | CC(C)CCO |
Known URLs
35Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=123-51-3 | enrich_references.chebi_xrefs |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/EL52C768.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15837 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.213 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.026.526 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.145.856 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0798 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3025469 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB02296 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02296 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1029 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7905 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL372396 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/isoamyl-alcohol | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:49460 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DEM9NIT1J4 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0006007 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.011G | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07328 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07328 | enrich_references.pubchem_identifier_url |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA05000108 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3198 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL372396 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/31260 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1105 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23043843 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23698045 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24487533 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24767042 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24804072 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24862930 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1718835 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q223101 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isoamyl_alcohol | enrich_references.pubchem_identifier_url |
| ymdb | ymdb:YMDB00570 | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1d54fefe-5b56-4a46-9053-cb5463be37a6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 5 |
| ea525a04-4052-44d6-863d-a7bceda36927 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 5 |
| 85d113dc-4dda-4ea7-abd1-42fbcb93d8a6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f795bc01-bd53-4eea-a810-dec6cae696be | Environmental → Air → Long-term | EF 3.1 | kg | 1 |
| 581df13b-7f3d-4b2d-8480-5a316c29edea | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 5 |
| 64f67ace-df7e-4e13-9923-7115b8e29130 | Environmental → Air → Unknown | EF 3.1 | kg | 5 |
| 9a78bd4d-08ea-4b58-a4e3-bfe5e0f5c85e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c94a2272-bef7-46d7-b930-a9c91b3c7692 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| f260094d-f421-4353-9462-5c171288b323 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ff3c1bfe-49d9-4b4a-8cb5-c05a7e36cd22 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c33b35bf-d5e9-4504-a66b-9bfb048c7005 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 86a921547ae5822a1a24c4e755461ccef874e5b2 | Environmental → Water → River | bafu algorithm addition | kg | 0 |
| a0325e14-30ca-43b6-a479-d67679b2b9a9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fbd680c8609c02dbfb76c1f88b621061d625eb40 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| bb7791c1-47ef-4d46-a836-975d007cffeb | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-a0b70cd55a7dfe3a",
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{
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{
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{
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{
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{
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{
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{
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{
"@value": "i-amyl alcohol",
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},
{
"@value": "Iso-amylalkohol",
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},
{
"@value": "iso-Pentanol",
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},
{
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},
{
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},
{
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},
{
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{
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},
{
"@value": "Isopentyl alcohol",
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{
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},
{
"@value": "primary isoamyl alcohol",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works